(3S)-1-(4-methyl-3-nitro-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (3S)-1-(4-methyl-3-nitro-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (3S)-1-(4-methyl-3-nitro-phenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(4-methyl-3-nitrophenyl)-5-oxo-3-pyrrolidinecarboxylate IUPAC Name: (3S)-1-(4-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-(4-methyl-3-nitro-phenyl)pyrrolidine-3-carboxylate Formula: C12H11N2O5- MolecularWeight: 263.22614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)N2C[C@H](CC2=O)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H12N2O5/c1-7-2-3-9(5-10(7)14(18)19)13-6-8(12(16)17)4-11(13)15/h2-3,5,8H,4,6H2,1H3,(H,16,17)/p-1/t8-/m0/s1